SCHEMBL18694487

SCHEMBL18694487

CCOC(=O)c1cc(N2CCCC2)c2c(C(C)C)nn(-c3cccc(C)c3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ CFTR P13569 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ DPP4 P27487 1/20 0.37

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
SCHEMBL18694801 0.99 KMT2A (0.43) KDM4ENPC1RAB9ARXFP1CFTR
SCHEMBL18694637 0.91 CFTR (0.42) KDM4ENPC1RAB9ARXFP1CFTR
SCHEMBL18693702 0.90 CFTR (0.47) KDM4ECFTRKMT2AALDH1A1POLB
SCHEMBL18692553 0.90 CFTR (0.46) KDM4ECFTRKMT2AALDH1A1POLB
SCHEMBL18693931 0.89 ALDH1A1 (0.39) KDM4ENPC1RAB9ARXFP1CFTR
SCHEMBL18692167 0.89 CFTR (0.41) KDM4ENPC1RAB9ARXFP1CFTR
SCHEMBL18692089 0.89 CFTR (0.41) KDM4ENPC1RAB9ARXFP1CFTR
SCHEMBL18694140 0.89 CFTR (0.41) KDM4ENPC1CFTRKMT2AALDH1A1
SCHEMBL18692414 0.89 CFTR (0.56) KDM4ECFTRKMT2AALDH1A1POLB
SCHEMBL18694346 0.89 CFTR (0.46) KDM4ECFTRKMT2AALDH1A1POLB

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-9796711-B2 Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and method of use ABBVIE S.Á.R.L. (LU) 2017-10-24 — — US disclosed
US-9796711-B2 Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and method of use ABBVIE S.Á.R.L. (LU) 2017-10-24 — — US disclosed
US-9796711-B2 Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and method of use ABBVIE S.Á.R.L. (LU) 2017-10-24 — — US disclosed
US-20170101406-A1 SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE ABBVIE OVERSEAS S.Á.R.L. (LU) 2017-04-13 — — US disclosed
US-20170101406-A1 SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE ABBVIE OVERSEAS S.Á.R.L. (LU) 2017-04-13 — — US disclosed
US-20170101406-A1 SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE ABBVIE OVERSEAS S.Á.R.L. (LU) 2017-04-13 — — US disclosed
WO-2017060873-A1 SUBSTITUTED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXYLIC ACIDS AND THEIR USE AbbVie S.à.r.l. (LU) 2017-04-13 — — 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 (1 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-20170101406-A1 SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE CFTR, CHRM3, P2RY1 KDM4E 4749/4885NPC1 1836/4885RAB9A 1657/4885

“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