SCHEMBL4404016

SCHEMBL4404016

CC(C)(C)Cc1cc(F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 4/20 0.46
▸ CA3 P07451 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ CA5B Q9Y2D0 1/20 0.43
▸ SLC6A4 P31645 4/20 0.40
▸ HTR2C P28335 3/20 0.40
▸ HTR2A P28223 3/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ DPP4 P27487 3/20 0.39
▸ NR3C1 P04150 1/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ MPO P05164 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1704764 0.83 IDO1 (0.48) RIPK1CA3CA6CA5ACA9
SCHEMBL4493764 0.82 RIPK1 (0.50) RIPK1CA3CA6CA5ACA9
SCHEMBL12870200 0.81 NR3C1 (0.39) RIPK1CA3CA6CA5ACA9
SCHEMBL765891 0.81 TAAR1 (0.39) RIPK1
SCHEMBL12791096 0.81 MEN1 (0.42) SLC6A4HTR2CHTR2APSEN1PSEN2
SCHEMBL20427979 0.80 RIPK1 (0.45) RIPK1CA3CA6CA5ACA9
SCHEMBL24244774 0.80 RIPK1 (0.37) RIPK1SLC6A4HTR2CHTR2APSEN1
SCHEMBL20782266 0.79 ESR1 (0.47) CA3CA6CA5ACA9CA14
SCHEMBL21685661 0.79 ALDH1A1 (0.45) RIPK1SLC6A4IDO1AGXTCACNA1C
SCHEMBL13020778 0.79 NR3C1 (0.40) RIPK1CA3CA6CA5ACA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 — — EP disclosed
US-20210379056-A1 SUBSTITUTED PYRAZOLE FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF APPLIED PHARMACEUTICAL SCIENCE, INC. (CN) 2021-12-09 — — US disclosed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 — — US disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 — — US disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 — — US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 — — US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 — — US disclosed
US-20180028535-A1 3-HYDROXYPYRIMIDINE-2,4-DIONE-5-CARBOXAMIDES AS POTENT INHIBITORS OF HIV REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-02-01 — — US disclosed
US-20180028535-A1 3-HYDROXYPYRIMIDINE-2,4-DIONE-5-CARBOXAMIDES AS POTENT INHIBITORS OF HIV REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-02-01 — — US disclosed
US-9745321-B2 Fused pyrimidine compound, intermediate, preparation method therefor, and composition and application thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2017-08-29 — — US disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 — — US disclosed
US-20090111828-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB 2009-04-30 — — US disclosed
US-20090099096-A1 AZA-peptide protease inhibitors GILEAD SCIENCES, INC. 2009-04-16 — — US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 — — US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 — — US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 — — US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 — — US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 — — US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 — — US disclosed
WO-2007060409-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB (SE) 2007-05-31 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 RIPK1 4519/4885CA3 1414/4885CA6 2014/4885
US-10035790-B2 RORγ modulators RORB, RORA, RORC RIPK1 1775/4885CA3 684/4885CA6 1867/4885
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 RIPK1 1/4885CA3 4583/4885CA6 4785/4885
US-20090111828-A1 L-ALANINE DERIVATIVES ITGA2B, ITGB1, ITGB5 RIPK1 3780/4885CA3 3742/4885CA6 3245/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK RIPK1 3349/4885CA3 3501/4885CA6 1846/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 RIPK1 4519/4885CA3 1414/4885CA6 2014/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC RIPK1 1775/4885CA3 2989/4885CA6 2355/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 RIPK1 3599/4885CA3 2271/4885CA6 2129/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 RIPK1 4519/4885CA3 1414/4885CA6 2014/4885
US-20180028535-A1 3-HYDROXYPYRIMIDINE-2,4-DIONE-5-CARBOXAMIDES AS POTENT INHIBITORS OF HIV DPYD, IMPDH2, TYMP RIPK1 1161/4885CA3 4147/4885CA6 3454/4885
US-20210379056-A1 SUBSTITUTED PYRAZOLE FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF RET, ROR1, WEE1 RIPK1 286/4885CA3 2836/4885CA6 3895/4885
US-20090099096-A1 AZA-peptide protease inhibitors DNPEP, ANPEP, PEPD RIPK1 2013/4885CA3 591/4885CA6 329/4885
US-20090137601-A1 L-Phenylalanine Derivatives ITGB5, ITGB1, ITGA2B RIPK1 3585/4885CA3 4772/4885CA6 4471/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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