SCHEMBL17250047

SCHEMBL17250047

CC(C)NCCC1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.43
ACHE P22303 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
F2R P25116 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SIGMAR1 Q99720 3/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MITF O75030 1/20 0.34
OPRL1 P41146 3/20 0.33

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
SCHEMBL24942654 0.94 NCF1 (0.39) NCF1ACHEITGB3ITGA2BF2R
SCHEMBL18233622 0.90 NCF1 (0.38) NCF1ITGB3ITGA2BF2RSIGMAR1
SCHEMBL26349895 0.89 SIGMAR1 (0.41) NCF1ACHEITGB3ITGA2BF2R
SCHEMBL8396257 0.83
SCHEMBL17702046 0.82 HRH3 (0.42) HRH3SIGMAR1MEN1KMT2A
SCHEMBL24764898 0.82 GNAO1 (0.40) GNAI3GNAO1GNAI1
SCHEMBL22790692 0.81 HRH3 (0.39) HRH3SIGMAR1
SCHEMBL12403210 0.81 MEN1 (0.41) SIGMAR1MEN1KMT2A
SCHEMBL20666382 0.81 MEN1 (0.45) SIGMAR1MEN1KMT2A
SCHEMBL22848538 0.79 CHRM4 (0.38) HRH3SIGMAR1MEN1KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-11779578-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11547697-B2 Heterocyclic compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2023-01-10 US disclosed
US-11136338-B2 Fused thiazolopyrimidine derivatives as MNKs inhibitors LIFEARC (GB) 2021-10-05 US disclosed
WO-2021083135-A1 Bcl-2 INHIBITORS BEIGENE, LTD. (KY) 2021-05-06 WO disclosed
US-20200247822-A1 Fused Thiazolopyrimidine Derivatives As MNKS Inhibitors ASTRAZENECA UK LIMITED (GB) 2020-08-06 US disclosed
US-10669284-B2 Fused thiazolopyrimidine derivatives as MNKS inhibitors LIFEARC (GB) 2020-06-02 US disclosed
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2019-11-21 US disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20150322064-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2015-11-12 US 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 (10 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-20200247822-A1 Fused Thiazolopyrimidine Derivatives As MNKS Inhibitors MAPT, TTBK1, TTBK2 NCF1 326/4885ACHE 1382/4885ITGB3 4234/4885
US-11547697-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB NCF1 1581/4885ACHE 2586/4885ITGB3 2630/4885
US-20150322064-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB NCF1 1581/4885ACHE 2586/4885ITGB3 2630/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 NCF1 2891/4885ACHE 2778/4885ITGB3 3396/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 NCF1 2185/4885ACHE 2310/4885ITGB3 2385/4885
US-11136338-B2 Fused thiazolopyrimidine derivatives as MNKs inhibitors MAPT, TTBK1, TTBK2 NCF1 326/4885ACHE 1382/4885ITGB3 4234/4885
US-11779578-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 NCF1 2891/4885ACHE 2778/4885ITGB3 3396/4885
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB NCF1 1581/4885ACHE 2586/4885ITGB3 2630/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 NCF1 2185/4885ACHE 2310/4885ITGB3 2385/4885
US-10669284-B2 Fused thiazolopyrimidine derivatives as MNKS inhibitors MAPT, TTBK1, TTBK2 NCF1 319/4885ACHE 1497/4885ITGB3 4197/4885

“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.