SCHEMBL10077940

SCHEMBL10077940

Cc1ccnc2ncncc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.45
CCR5 P51681 3/20 0.45
CCR8 P51685 3/20 0.45
PSMD14 O00487 1/20 0.36
COPS5 Q92905 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NOS3 P29474 3/20 0.34
NOS2 P35228 3/20 0.34
CYP1A2 P05177 4/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
PDE5A O76074 1/20 0.31
CYP17A1 P05093 2/20 0.31
NPC1 O15118 1/20 0.30
HSP90AA1 P07900 1/20 0.30
METAP2 P50579 1/20 0.30
METAP1 P53582 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL23169488 0.75 PDE5A (0.36) CYP2D6PDE5ACYP2C19
SCHEMBL14289229 0.75 DGAT1 (0.33)
SCHEMBL10077017 0.75 RPS6KA3 (0.31)
SCHEMBL11374405 0.72 CCR1 (0.45) CCR1CCR5CCR8CYP1A2CYP3A4
SCHEMBL30718598 0.71 CCR1 (0.52) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL3152309 0.71 CCR1 (0.52) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL12341885 0.71 CYP17A1 (0.33) CYP1A2CYP3A4PDE5ACYP17A1
SCHEMBL24121915 0.71 CCR1 (0.45) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL18266958 0.71 KDM4E (0.49) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL24352035 0.71 PDE5A (0.32) PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504740-A New preparation method of palbociclin 江苏权正检验检测有限公司 2025-02-25 CN disclosed
CN-119504739-A Novel method for synthesizing palbociclin 江苏权正检验检测有限公司 2025-02-25 CN disclosed
US-20240132492-A1 PYRIDOPYRIMIDINE-BASED COMPOUND AND APPLICATION THEREOF JINAN UNIVERSITY (CN) 2024-04-25 US disclosed
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-8546420-B2 4, 5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-01 US disclosed
US-20120030841-A1 Isoxazoline compounds for combating invertebrate pests BASF SE (DE) 2012-02-02 US disclosed
EP-2081922-B1 5,6-Ring annulated indole derivatives and use thereof SCHERING CORP (US) 2012-02-01 EP disclosed
US-20100196319-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-08-05 US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 US disclosed
WO-2008082484-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2008-07-10 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 (4 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-20100196319-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L CCR1 434/4885CCR5 33/4885CCR8 626/4885
US-20240132492-A1 PYRIDOPYRIMIDINE-BASED COMPOUND AND APPLICATION THEREOF AKT3, AKT1S1, AKT2 CCR1 4512/4885CCR5 3539/4885CCR8 4260/4885
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L CCR1 725/4885CCR5 23/4885CCR8 939/4885
US-20120030841-A1 Isoxazoline compounds for combating invertebrate pests PRDX5, PRDX1, PRDX2 CCR1 4384/4885CCR5 3366/4885CCR8 4467/4885

“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.