SCHEMBL5768328

SCHEMBL5768328

CSc1nc(N)c2ccncc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 2/20 0.46
ACHE P22303 2/20 0.40
LATS1 O95835 5/20 0.37
LATS2 Q9NRM7 4/20 0.37
KDM4C Q9H3R0 2/20 0.37
LMNA P02545 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CLK1 P49759 1/20 0.36
ABCB1 P08183 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL31662287 0.86 HASPIN (0.42) HASPINLMNACLK1ABCB1CA12
SCHEMBL3816236 0.77 KDM4E (0.59) ACHELMNACYP1A2CYP3A4CYP2C9
SCHEMBL250853 0.77 ACHE (0.42) ACHELATS1LATS2KDM4CLMNA
SCHEMBL26157957 0.76 DCPS (0.55) ACHELMNACYP1A2CYP3A4CYP2D6
SCHEMBL1623074 0.72 HRH4 (0.42) ACHELMNACYP1A2ABCB1KDM4E
SCHEMBL31377414 0.71 HRH4 (0.43) ACHELMNACYP1A2ABCB1KDM4E
SCHEMBL21875480 0.70 LATS1 (0.61) LATS1LATS2
SCHEMBL30443506 0.69 HASPIN (0.49) HASPINCLK1CA12CA1CA2
SCHEMBL29936384 0.69 HASPIN (0.33) HASPINLMNAABCB1KDM4EALDH1A1
SCHEMBL31662056 0.69 KDM4E (0.39) HASPINLMNACYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220274979-A1 2-METHYL-AZA-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-09-01 US claimed
WO-2006118598-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 WO claimed
EP-1697361-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF Renovis, Inc. (US) 2006-09-06 EP claimed
WO-2005066171-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2005-07-21 WO claimed
US-20240084305-A1 MODULATORS OF CELL PROLIFERATION AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-03-14 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-20240084305-A1 MODULATORS OF CELL PROLIFERATION AND USES THEREOF MKI67, MYC, CCNK HASPIN 640/4885ACHE 4587/4885LATS1 301/4885
US-20220274979-A1 2-METHYL-AZA-QUINAZOLINES AZI2, DNMT1, TPMT HASPIN 3099/4885ACHE 3754/4885LATS1 3079/4885

“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.