SCHEMBL16587650

SCHEMBL16587650

CC(C)(C)N1CCCN(c2ccccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ PLD1 Q13393 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.46
▸ HTT P42858 1/20 0.45

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
SCHEMBL136881 0.94 PLD1 (0.56) KDM4EALDH1A1MAPTPLD1SMN1; SMN2
SCHEMBL157489 0.83 PLD1 (0.68) KDM4EALDH1A1MAPTPLD1SMN1; SMN2
SCHEMBL14192112 0.80 LMNA (0.46) KDM4EALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL11947809 0.80 HSD17B10 (0.64) ALDH1A1PLD1SMN1; SMN2HSD17B10
SCHEMBL18893549 0.79 KDM4E (0.59) KDM4EALDH1A1MAPTPLD1SMN1; SMN2
SCHEMBL29462629 0.79 PLD1 (0.68) KDM4EALDH1A1MAPTPLD1SMN1; SMN2
SCHEMBL230367 0.79 PLD1 (0.68) KDM4EALDH1A1MAPTPLD1SMN1; SMN2
SCHEMBL18228078 0.79 PLD1 (0.68) KDM4EALDH1A1MAPTPLD1SMN1; SMN2
SCHEMBL15800694 0.79 PLD1 (0.73) KDM4EALDH1A1MAPTPLD1SMN1; SMN2
SCHEMBL21353591 0.79 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227340-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-03-12 — — US disclosed
US-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-03-15 — — US disclosed
US-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-03-15 — — US disclosed
US-9862715-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-09 — — US disclosed
US-20160083375-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-03-24 — — US disclosed
US-9242976-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 — — US disclosed
US-8987311-B2 Triazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 — — 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 (3 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-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK3 KDM4E 307/4885ALDH1A1 3990/4885MAPT 2007/4885
US-10227340-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors IRAK4, IRAK1, IRAK3 KDM4E 307/4885ALDH1A1 3990/4885MAPT 2007/4885
US-20160083375-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK3 KDM4E 307/4885ALDH1A1 3990/4885MAPT 2007/4885

“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.

Send feedback