SCHEMBL17229355

SCHEMBL17229355

CC(C)Cc1ccc2c(c1)CNC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
HTR6 P50406 1/20 0.37
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
LMNA P02545 1/20 0.34
ALB P02768 1/20 0.34
ESR1 P03372 1/20 0.34
ALOX5 P09917 1/20 0.34
RARB P10826 1/20 0.34
CYP2C9 P11712 1/20 0.34
ADRB3 P13945 1/20 0.34

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
SCHEMBL19281909 0.86 ASIC3 (0.50) HTR2CHTR2BDRD2DRD3
SCHEMBL18583848 0.86 PNMT (0.50) DRD2DRD3
SCHEMBL27641244 0.85 PNMT (0.49) HTR2CHTR2BHTR2A
SCHEMBL23420672 0.83 HTR2C (0.41) GABRA1GABRB2HTR2CHTR2BDRD2
SCHEMBL20997145 0.83 NMT1 (0.43) HTR2CHTR2B
SCHEMBL25839263 0.81 DRD2 (0.39) HTR2CDRD2DRD3HTR6HTR2A
SCHEMBL24253262 0.79 GABRA1 (0.36) GABRA1GABRB2MEN1POLBMAPT
SCHEMBL23420942 0.78 HTR2C (0.47) GABRA1GABRB2HTR2CHTR2BHTR2A
SCHEMBL8179926 0.78 DRD2 (0.42) HTR2CHTR2BDRD2DRD3HTR6
SCHEMBL18583850 0.77 GABRA1 (0.35) GABRA1GABRB2MEN1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-07-20 US disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
WO-2015171527-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-12 WO disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 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 (2 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-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH GABRA1 3409/4885GABRB2 3649/4885MEN1 2247/4885
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR AXL, FLT3, TYMP GABRA1 2546/4885GABRB2 3002/4885MEN1 2362/4885

“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.