SCHEMBL6421370

SCHEMBL6421370

Cc1cnc2cccc(I)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.37
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
NPC1 O15118 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
MET P08581 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
METAP2 P50579 1/20 0.32
CCR1 P32246 2/20 0.32
RAB9A P51151 1/20 0.32
CCR5 P51681 1/20 0.32

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
SCHEMBL6420259 0.85 CYP1A2 (0.36) CYP1A2CCNB2CDK1CCNB1CDK5
SCHEMBL8404385 0.80 ADORA3 (0.44) CYP1A2CCNB2CDK1CCNB1CDK5
SCHEMBL18544285 0.78 NPC1 (0.42) NPC1RAB9AKDM4E
SCHEMBL3583880 0.77 KDM4E (0.49) CYP1A2CCNB2CDK1CCNB1CDK5
SCHEMBL1041134 0.77 ACHE (0.57) CYP1A2ACHEMETAP2RAB9AKDM4E
SCHEMBL7451226 0.77 NR4A2 (0.46) CYP1A2ADORA3ADORA1
Hydrochloric Acid SCHEMBL3581051 0.76 KDM4E (0.47) CYP1A2CCNB2CDK1CCNB1CDK5
SCHEMBL24996735 0.74 CA2 (0.36) CYP1A2CCNB2CDK1CCNB1CDK5
SCHEMBL10262921 0.74 LMNA (0.41) CYP1A2CCNB2CDK1CCNB1CDK5
SCHEMBL20212713 0.73 ALDH1A1 (0.38) CYP1A2CCNB2CDK1CCNB1CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3889152-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2021-10-06 EP disclosed
WO-2020108613-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏豪森药业集团有限公司 2020-06-04 WO disclosed
US-20050227978-A1 Fibrosis inhibitor SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2005-10-13 US disclosed
EP-1479384-A1 FIBROSIS INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-11-24 EP disclosed
US-20040209939-A1 Pyrrole derivatives SUMITOMO PHARMACEUTICALS CO., LTD. 2004-10-21 US disclosed
US-6759429-B2 HAVING TRANSFORMING GROWTH FACTOR- BETA INHIBITORY ACTIVITY AND BEING USEFUL AS FIBROSIS INHIBITORS FOR ORGANS OR TISSUES SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2004-07-06 US disclosed
CN-1466572-A Pyrrole derivatives ס����ҩ��ʽ���� 2004-01-07 CN disclosed
US-20030181496-A1 Pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2003-09-25 US disclosed
EP-1310485-A1 PYRROLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-05-14 EP 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 (3 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-20050227978-A1 Fibrosis inhibitor SMAD3, MMP1, SMAD2 CYP1A2 654/4885CCNB2 176/4885CDK1 92/4885
US-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 CYP1A2 273/4885CCNB2 356/4885CDK1 240/4885
US-20040209939-A1 Pyrrole derivatives NCOA1, PKD1, NCOR1 CYP1A2 250/4885CCNB2 435/4885CDK1 265/4885

“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.