SCHEMBL2790760

SCHEMBL2790760

Cc1cc2cc(N)ccc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.59
FLT3 P36888 1/20 0.55
CA2 P00918 1/20 0.52
NPC1 O15118 7/20 0.46
MAOB P27338 2/20 0.44
RAB9A P51151 7/20 0.42
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 3/20 0.42
TP53 P04637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
APP P05067 2/20 0.41
GFER P55789 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41

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
Hydrochloric Acid SCHEMBL2482195 0.98 DYRK1A (0.58) DYRK1AFLT3CA2NPC1MAOB
Dimethylamine SCHEMBL2103953 0.94 DYRK1A (0.54) DYRK1AFLT3CA2NPC1MAOB
Oxalic Acid SCHEMBL6591344 0.89 FLT3 (0.59) DYRK1AFLT3CA2NPC1MAOB
SCHEMBL6980491 0.83 CA2 (0.52) DYRK1AFLT3CA2NPC1RAB9A
SCHEMBL3920685 0.77 FLT3 (0.59) FLT3CA2NPC1MAOBRAB9A
SCHEMBL170369 0.77 ALDH1A1 (0.55) DYRK1ACA2MAOBALDH1A1APP
SCHEMBL16284310 0.76 NPC1 (0.57) FLT3CA2NPC1MAOBRAB9A
SCHEMBL22312245 0.75 DYRK1A (0.51) DYRK1ANPC1MAOBRAB9AKDM4E
SCHEMBL1746909 0.74 DYRK1A (0.50) DYRK1ACA2MAOBMAPTSMN1; SMN2
SCHEMBL12778679 0.74 FLT3 (0.55) FLT3CA2NPC1MAOBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357249-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS WITH A TRICYCLIC CEREBLON LIGAND UNIV MICHIGAN REGENTS (US) 2023-11-09 US disclosed
US-20230355705-A1 DISCOVERY OF YEATS2 YEATS DOMAIN INHIBITORS AS NOVEL ANTI-CANCER AGENTS THE UNIVERSITY OF HONG KONG (CN) 2023-11-09 US disclosed
US-20230355705-A1 DISCOVERY OF YEATS2 YEATS DOMAIN INHIBITORS AS NOVEL ANTI-CANCER AGENTS THE UNIVERSITY OF HONG KONG (CN) 2023-11-09 US disclosed
WO-2023102162-A1 TGONOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed
US-20220098154-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. 2022-03-31 US disclosed
EP-3917627-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2021-12-08 EP disclosed
WO-2020160134-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-08-06 WO disclosed
EP-3144301-B1 COMPOUND, ORGANIC OPTOELECTRONIC ELEMENT COMPRISING SAME AND DISPLAY DEVICE THEREOF SAMSUNG SDI CO LTD (KR) 2019-09-18 EP disclosed
EP-2836494-B1 NEW ALKYLATING AGENTS NERVIANO MEDICAL SCIENCES SRL (IT) 2019-08-21 EP disclosed
US-10266547-B2 Thieno[2,3-e]indole derivatives as new antitumor agents NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-04-23 US disclosed
US-6544981-B2 Anticoagulants, cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2003-04-08 US disclosed
EP-1294716-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD Bristol-Myers Squibb Company (US) 2003-03-26 EP disclosed
US-6511973-B2 Enzyme inhibitors of blood coaggulation factor X for use as anticoaggulants in the treatment of cardiovascular diseases associated with thromboses BRISTOL-MYERS SQUIBB CO. 2003-01-28 US disclosed
US-20020045616-A1 Lactam inhibitors of FXa and method BRISTOL-MYERS SQUIBB COMPANY 2002-04-18 US disclosed
US-20020025957-A1 Lactam inhibitors of factor Xa and method BRISTOL-MYERS SQUIBB COMPANY 2002-02-28 US disclosed
WO-2002010159-A1 LACTAM INHIBITORS OF FACTOR XA WHICH ARE USEFUL FOR THE TREATMENT OF THROMBOSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-02-07 WO disclosed
WO-2001096331-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 WO disclosed
EP-1156803-A1 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-28 EP disclosed
US-6297233-B1 Lactam inhibitors of FXa and method BRISTOL-MYERS SQUIBB COMPANY 2001-10-02 US disclosed
WO-2000047207-A1 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-17 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 (6 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-20220098154-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS POLQ, POLH, POLB DYRK1A 4204/4885FLT3 1217/4885CA2 2547/4885
US-20230357249-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS WITH A TRICYCLIC CEREBLON LIGAND AR, GPER1, CRBN DYRK1A 3751/4885FLT3 3831/4885CA2 2662/4885
US-10266547-B2 Thieno[2,3-e]indole derivatives as new antitumor agents INMT, TOP2A, TOP1 DYRK1A 829/4885FLT3 2161/4885CA2 3469/4885
US-20230355705-A1 DISCOVERY OF YEATS2 YEATS DOMAIN INHIBITORS AS NOVEL ANTI-CANCER AGENTS YEATS2, YEATS4, KNTC1 DYRK1A 1827/4885FLT3 1990/4885CA2 3497/4885
US-20020025957-A1 Lactam inhibitors of factor Xa and method F9, F7, F11 DYRK1A 4096/4885FLT3 802/4885CA2 3830/4885
US-20020045616-A1 Lactam inhibitors of FXa and method F11, TFPI, F2 DYRK1A 4084/4885FLT3 1889/4885CA2 3333/4885

“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.