SCHEMBL183091

SCHEMBL183091

Cn1cnc2nc(Cl)nc(Cl)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.41
YTHDC1 Q96MU7 1/20 0.39
GDA Q9Y2T3 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PIK3CD O00329 1/20 0.32
POLB P06746 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CNR1 P21554 1/20 0.32
ACHE P22303 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
NTSR1 P30989 1/20 0.32
MC3R P41968 1/20 0.32
NOTUM Q6P988 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
NR2E1 Q9Y466 1/20 0.32
CYP3A4 P08684 2/20 0.30
PMP22 Q01453 2/20 0.30
ALDH1A1 P00352 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
SCHEMBL29661424 1.00 CDK1 (0.41) CDK1YTHDC1GDAKDM4EPIK3CD
SCHEMBL11556607 0.81 CDK1 (0.54) CDK1YTHDC1GDAKDM4EPIK3CD
SCHEMBL12311046 0.81 ADORA2A (0.46) CDK1GDAKDM4EPIK3CDPOLB
SCHEMBL31625164 0.78 CDK1 (0.37) CDK1YTHDC1
SCHEMBL1397023 0.78 CDK1 (0.37) CDK1YTHDC1
SCHEMBL24476718 0.76 CDK1 (0.30) CDK1
SCHEMBL31380754 0.76 ADORA2A (0.45) CDK1POLBADORA2AADORA2BADORA1
SCHEMBL183206 0.76 ADORA2A (0.45) CDK1YTHDC1ADORA2AADORA2BADORA1
SCHEMBL24476380 0.76 CSNK2A1 (0.37) ADORA2AADORA2B
SCHEMBL16714580 0.76 ADORA2A (0.45) CDK1POLBADORA2AADORA2BADORA1

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 199 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608317-A4 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2006-12-27 EP claimed
EP-1608317-A2 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda San Diego, Inc. (US) 2005-12-28 EP claimed
US-20050004117-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-01-06 US claimed
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 WO claimed
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 WO claimed
US-20260092053-A1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2026-04-02 US disclosed
EP-4681774-A2 KHK INHIBITORS Gilead Sciences, Inc. (US) 2026-01-21 EP disclosed
US-20250353851-A1 PURINES AND METHODS OF THEIR USE KINETA INC (US) 2025-11-20 US disclosed
EP-4313967-B1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2025-11-12 EP disclosed
US-20250333424-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2025-10-30 US disclosed
EP-3768260-B1 OXADIAZOLE COMPOUNDS AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS HOFFMANN LA ROCHE (CH) 2025-10-08 EP disclosed
US-12410160-B2 KHK inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 WO disclosed
US-5583137-A Heterocyclic compounds for enhancing antitumor activity PFIZER INC. (US) 1996-12-10 US disclosed
EP-0626964-A1 HETEROCYCLIC COMPOUNDS FOR ENHANCING ANTITUMOR ACTIVITY PFIZER INC. (US) 1994-12-07 EP disclosed
WO-1993017021-A1 HETEROCYCLIC COMPOUNDS FOR ENHANCING ANTITUMOR ACTIVITY PFIZER, INC. (US) 1993-09-02 WO disclosed
US-4147867-A ANTITUMOR AGENTS GOLOVCHINSKAYA ELENA S 1979-04-03 US disclosed
US-4147867-A ANTITUMOR AGENTS GOLOVCHINSKAYA ELENA S 1979-04-03 US disclosed
US-4122173-A POLYETHYLENE COATING GOLOVCHINSKAYA ELENA SEMENOVNA 1978-10-24 US disclosed
US-4122173-A POLYETHYLENE COATING GOLOVCHINSKAYA ELENA SEMENOVNA 1978-10-24 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 (5 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-20050004117-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 CDK1 728/4885YTHDC1 4385/4885GDA 3219/4885
US-20260092053-A1 KHK INHIBITORS KHK, SLC5A2, HK1 CDK1 2211/4885YTHDC1 3205/4885GDA 4658/4885
US-20250333424-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, IRF3 CDK1 1098/4885YTHDC1 533/4885GDA 726/4885
US-12410160-B2 KHK inhibitors KHK, KHDRBS1, NADK CDK1 1003/4885YTHDC1 1669/4885GDA 3641/4885
US-20250353851-A1 PURINES AND METHODS OF THEIR USE TDP1, TDP2, PIKFYVE CDK1 1075/4885YTHDC1 2276/4885GDA 65/4885

“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.